[Pw_forum] zone center phonons of Si lattice

Ezad Shojaee ezadshojaee at hotmail.com
Wed Nov 28 14:14:25 CET 2007


Hi
It seems that if we look to Si lattice as an SC with 8 atoms per cell, the symmetries connected to the fractional translations will not be accepted, so if we use this scheme to obtain the zone-center phonons of Si, we will get frequencies rather different from the main one(FCC scheme), with different symmetries and degenerecies.
How is it possible to obtain the right ones (zone-center phonons) of Si, with the right symmetries and degenerecies, by the SC scheme?
Thanx 
_________________________________________________________________
Connect to the next generation of MSN Messenger 
http://imagine-msn.com/messenger/launch80/default.aspx?locale=en-us&source=wlmailtagline
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20071128/3ea445dc/attachment.html>


More information about the users mailing list